[(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid

C5H12N2O7P2 — CID 54397866

IUPAC[(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESCC1CN(C(P(=O)(O)O)P(=O)(O)O)C(=O)N1
InChIInChI=1S/C5H12N2O7P2/c1-3-2-7(4(8)6-3)5(15(9,10)11)16(12,13)14/h3,5H,2H2,1H3,(H,6,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyVLHQADBYSPXXAA-UHFFFAOYSA-N
MW274.11 g/mol
LogP-0.96
Rot. Bonds3

About [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid

[(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid (PubChem CID 54397866) has the molecular formula C5H12N2O7P2 and a molecular weight of 274.11 g/mol. Its IUPAC name is [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
PubChem CID54397866
Molecular FormulaC5H12N2O7P2
Molecular Weight274.11 g/mol
Exact Mass274.01
IUPAC Name[(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESCC1CN(C(P(=O)(O)O)P(=O)(O)O)C(=O)N1
InChIInChI=1S/C5H12N2O7P2/c1-3-2-7(4(8)6-3)5(15(9,10)11)16(12,13)14/h3,5H,2H2,1H3,(H,6,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyVLHQADBYSPXXAA-UHFFFAOYSA-N
XLogP-0.96
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2-Oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
CID 54317080
Bis(dihydroxy(oxo)phosphanium);1,5-dimethylimidazolidin-2-one
CID 88764919
Bis(dihydroxy(oxo)phosphanium);1-methylimidazolidin-2-one
CID 88766007
[[(2R)-2-methylpyrrolidine-1-carbonyl]amino]methylphosphonic acid
CID 91301780
1-(2-Oxoimidazolidin-1-yl)phosphanylethylphosphonic acid
CID 141246131

Frequently Asked Questions

What is the IUPAC name of [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid (CID 54397866) is [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid is CC1CN(C(P(=O)(O)O)P(=O)(O)O)C(=O)N1.
What is the InChIKey of [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
The InChIKey is VLHQADBYSPXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O7P2/c1-3-2-7(4(8)6-3)5(15(9,10)11)16(12,13)14/h3,5H,2H2,1H3,(H,6,8)(H2,9,10,11)(H2,12,13,14).
What are the key properties of [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
[(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid has a molecular weight of 274.11 g/mol, XLogP of -0.96, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methyl-2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 54397866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).